Molecule

ID:63740

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2/t5-/m1/s1
InChIKey
QOTUIIJRVXKSJU-RXMQYKEDSA-N
Canonic Smiles
OC[C@H]1CNCC1
Isomeric Smiles
C1[C@@H](CO)CNC1
Calculated Properties
JChem
Acid pKa
15.429756
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.05618
LogD (pH = 7.4)
-3.8651216
Log P
-0.81723005
Molar Refractivity
28.5359
Polarizability
11.356206
Polar Surface Area
32.26
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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